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1-{4-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-1-piperazinyl}-4-phenylphthalazine
SpectraBase Compound ID KKqx6y9crjN
InChI InChI=1S/C27H23N5O2S/c33-24(18-35-27-28-22-12-6-7-13-23(22)34-27)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKey QXMCVUTWYMSHAR-UHFFFAOYSA-N
Mol Weight 481.57 g/mol
Molecular Formula C27H23N5O2S
Exact Mass 481.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 58AKGFbSurz
Name 1-{4-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-1-piperazinyl}-4-phenylphthalazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H23N5O2S/c33-24(18-35-27-28-22-12-6-7-13-23(22)34-27)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKey QXMCVUTWYMSHAR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23929
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D43970; Labnumber: RRAZ-1153; SBI_ID: SBI-023933
Synonyms 1,3-benzoxazol-2-yl 2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl sulfide
Temperature 300 °C